SCHEMBL4693480

SCHEMBL4693480

COC(=O)c1ccc(NCCCS(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
HPGD P15428 3/20 0.53
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
AGTR1 P30556 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SCN5A Q14524 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2B P18089 1/20 0.48
OPRD1 P41143 1/20 0.48
PTPRB P23467 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15668245 0.97 POLB (0.59) POLBHPGDCA1CA2RAB9A
SCHEMBL14399352 0.83 POLB (0.64) POLBHPGDCA1CA2RAB9A
SCHEMBL3944091 0.83 POLB (0.64) POLBHPGDCA1CA2RAB9A
SCHEMBL11564179 0.81 POLB (0.62) POLBHPGDCA1CA2RAB9A
SCHEMBL11560232 0.81 POLB (0.62) POLBHPGDCA1CA2RAB9A
SCHEMBL11560046 0.81 POLB (0.62) POLBHPGDCA1CA2RAB9A
SCHEMBL11183160 0.81 POLB (0.62) POLBHPGDCA1CA2RAB9A
SCHEMBL917492 0.81 GAA (0.59) CA1CA2RAB9AALDH1A1NPC1
SCHEMBL11075289 0.81 POLB (0.62) POLBHPGDCA1CA2RAB9A
SCHEMBL11565392 0.81 POLB (0.62) POLBHPGDCA1CA2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD POLB 2080/4885HPGD 1815/4885CA1 232/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 POLB 2045/4885HPGD 1471/4885CA1 309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.